How Comprehensive is Your Analysis? Human Molecular Profiling by HR TOF-MS

DOCUMENT: Application | Ref: 203-821-503Download
Category: Metabolomics, Separation Science Mass Spectrometry

The LECO Pegasus GC-HRT instrument was used to monitor behaviour (e.g., drug abuse) and also to perform more comprehensive molecular profiling following a suitable urine sample preparation step. Ref: 203-821-503

This application note describes the development of a GC-HRT method to determine the urine profiles for drug monitoring and molecular profiling. Both the electronic ionisation (EI) and chemical ionisation (CI) data facilitated the compound identifications through spectral similarity searches using specific libraries and robust formula determinations for fragment, molecular, and adduct ions. Moreover, a sample preparation step was added, prior to the GC-HRT analysis, in order to improve the quality and quantity of data that can be obtained from a single analysis. In particular, a two-step derivatization was used to detect also ionic and polar compounds such as acids, diacids, amino acids, monosaccharides, fatty acids, disaccharides. In conclusion, the combination of a sample preparation step along with the great potential of the GC-HRT analysis has allowed the detection of 1300 peaks in a urine sample. Ref: 203-821-503